AG003FUK

51163-29-2 | 2,4-Dimethylphenyl isocyanate

AG003FUK

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CAS Number	51163-29-2
Catalog Number	AG003FUK(AGN-PC-0LOH1I)
Chemical Name	2,4-Dimethylphenyl isocyanate
IUPAC Name	1-isocyanato-2,4-dimethylbenzene
InChI	InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChI Key	QUOBVYPFBJUOAJ-UHFFFAOYSA-N
MDL Number	MFCD00013853
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	CC1=CC(C)=C(N=C=O)C=C1
Synonyms	1-isocyanato-2,4-dimethylbenzene, 51163-29-2, 2,4-Dimethylphenyl isocyanate, 2,4-Dimethylphenylisocyanate, Benzene, 1-isocyanato-2,4-dimethyl-, MFCD00013853, 2,4-dimethylbenzenisocyanate, AC1NPOQT, ACMC-20aoc8, AC1Q2HXB, SCHEMBL627870, CTK1G5324, DTXSID90409982, QUOBVYPFBJUOAJ-UHFFFAOYSA-N, 1-isocyanato-2,4-dimethyl-benzene, ALBB-007524, ZINC2560435, 4610AE, SBB048857, STK504594, 2,4-Dimethylphenyl isocyanate, 98%, AKOS000188531, MCULE-9978064066, DB-051912, TR-018239, BB 0254651, FT-0610182, ST50824085, W-6204, A828471, I01-15535, F1945-0007, C9H9NO, ZINC02560435, CID5207585,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H317-H319-H330-H334-H335
Packing Group	Ⅲ
Precautionary statements	P260-P280-P284-P305+P351+P338-P310
UN Code	UN 2206

Certificate of Analysis

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